7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine

C19H22ClN5 — CID 54338464

IUPAC7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine
SMILESClc1ccc2c(c1)N=C(N1CCN(CC3CC3)CC1)c1nccn1C2
InChIInChI=1S/C19H22ClN5/c20-16-4-3-15-13-25-6-5-21-18(25)19(22-17(15)11-16)24-9-7-23(8-10-24)12-14-1-2-14/h3-6,11,14H,1-2,7-10,12-13H2
InChIKeyTXFHGZCDMQQPJE-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.00
Rot. Bonds2

About 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine

7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine (PubChem CID 54338464) has the molecular formula C19H22ClN5 and a molecular weight of 355.87 g/mol. Its IUPAC name is 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine
PubChem CID54338464
Molecular FormulaC19H22ClN5
Molecular Weight355.87 g/mol
Exact Mass355.16
IUPAC Name7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine
SMILESClc1ccc2c(c1)N=C(N1CCN(CC3CC3)CC1)c1nccn1C2
InChIInChI=1S/C19H22ClN5/c20-16-4-3-15-13-25-6-5-21-18(25)19(22-17(15)11-16)24-9-7-23(8-10-24)12-14-1-2-14/h3-6,11,14H,1-2,7-10,12-13H2
InChIKeyTXFHGZCDMQQPJE-UHFFFAOYSA-N
XLogP3.00
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine (CID 54338464) is 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine is Clc1ccc2c(c1)N=C(N1CCN(CC3CC3)CC1)c1nccn1C2.
What is the InChIKey of 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine?
The InChIKey is TXFHGZCDMQQPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5/c20-16-4-3-15-13-25-6-5-21-18(25)19(22-17(15)11-16)24-9-7-23(8-10-24)12-14-1-2-14/h3-6,11,14H,1-2,7-10,12-13H2.
What are the key properties of 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine?
7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine has a molecular weight of 355.87 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-10H-imidazo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 54338464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).